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CHEBI:223445 - Neocurromycin A

ChEBI IDCHEBI:223445
ChEBI NameNeocurromycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H44N4O7
Net Charge0
Average Mass632.758
Monoisotopic Mass632.32100
SMILESC=C1C(=O)N(C)C(C(C)OC)C(=O)N1C(=O)/C=C/C=C/C=C/C=C\CNC(=O)C(C)(C)C(O)/C(C)=C\C=C/C=C/Cc1cnco1
InChIInChI=1S/C35H44N4O7/c1-25(19-15-12-13-16-20-28-23-36-24-46-28)31(41)35(4,5)34(44)37-22-18-14-10-8-9-11-17-21-29(40)39-26(2)32(42)38(6)30(33(39)43)27(3)45-7/h8-19,21,23-24,27,30-31,41H,2,20,22H2,1,3-7H3,(H,37,44)/b10-8+,11-9+,15-12-,16-13+,18-14-,21-17+,25-19-
InChIKeyBUQUMGFIRYFYPT-KIVHPJHFSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies RAI364 (ncbitaxon:1661616) - PubMed (32572166)
ChEBI Ontology
Outgoing Relation(s)
Neocurromycin A (CHEBI:223445) has functional parent α-amino acid (CHEBI:33704)
Neocurromycin A (CHEBI:223445) is a organonitrogen compound (CHEBI:35352)
Neocurromycin A (CHEBI:223445) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4Z,6Z,8E)-3-hydroxy-N-[(2Z,4E,6E,8E)-10-[5-(1-methoxyethyl)-4-methyl-2-methylidene-3,6-dioxopiperazin-1-yl]-10-oxodeca-2,4,6,8-tetraenyl]-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienamide